SCHEMBL24076981

SCHEMBL24076981

CC(C)c1nn(CC(=O)N[C@@H]2CC(O)CN(C)C2)c(=O)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 5/20 0.55
▸ GPR139 Q6DWJ6 3/20 0.39
▸ AKR1B1 P15121 4/20 0.38
▸ CCR2 P41597 3/20 0.37
▸ CCRL2 O00421 4/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24076963 1.00 NLRP3 (0.55) NLRP3GPR139AKR1B1CCR2CCRL2
SCHEMBL24077186 1.00 NLRP3 (0.55) NLRP3GPR139AKR1B1CCR2CCRL2
SCHEMBL24076330 0.91 NLRP3 (0.60) NLRP3GPR139AKR1B1CCR2CCRL2
SCHEMBL24076421 0.91 NLRP3 (0.60) NLRP3GPR139AKR1B1CCR2CCRL2
SCHEMBL24076373 0.91 NLRP3 (0.60) NLRP3GPR139AKR1B1CCR2CCRL2
SCHEMBL24077190 0.90 NLRP3 (0.54) NLRP3GPR139AKR1B1CCR2CCRL2
SCHEMBL24077018 0.90 NLRP3 (0.54) NLRP3GPR139AKR1B1CCR2CCRL2
SCHEMBL24076413 0.90 NLRP3 (0.54) NLRP3GPR139AKR1B1CCR2CCRL2
SCHEMBL24076956 0.90 NLRP3 (0.54) NLRP3GPR139AKR1B1CCR2CCRL2
SCHEMBL24077020 0.90 NLRP3 (0.54) NLRP3GPR139AKR1B1CCR2CCRL2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 — — WO disclosed
Send feedback